SCHEMBL6594368

SCHEMBL6594368

CN(C)CCC1OCC(=O)C1NC(=O)[C@H](CC(C)(C)C)NC(=O)ON1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.45
CTSK P43235 11/20 0.45
CTSL P07711 10/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6587320 0.93 CTSL (0.38) CTSSCTSKCTSL
SCHEMBL6591783 0.93 CTSL (0.40) CTSSCTSKCTSL
SCHEMBL6593924 0.89 CTSS (0.55) CTSSCTSKCTSL
SCHEMBL6590003 0.89 CTSK (0.39) CTSSCTSKCTSL
SCHEMBL6592458 0.88 CTSS (0.33) CTSSCTSKCTSL
SCHEMBL6591065 0.88 CTSK (0.38) CTSSCTSKCTSL
SCHEMBL6591010 0.87 CTSL (0.32) CTSSCTSKCTSL
SCHEMBL6477041 0.87 CTSS (0.47) CTSSCTSKCTSL
SCHEMBL6594620 0.86 CTSL (0.32) CTSSCTSKCTSL
SCHEMBL6590578 0.86 CTSS (0.37) CTSSCTSKCTSL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP claimed